N-Methyl-1,3-benzenediamine (50617-73-7)

The N-Methyl-1,3-benzenediamine with cas registry number of 50617-73-7, has the systematic name of N-methylbenzene-1,3-diamine. Its IUPAC name is 1H-pyrimidine-2,4-dione. Besides this, it is also named Methylamine, m-phenylenebis-.

Physical properties about this chemical are: (1)ACD/LogP: -0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.12; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.16; (8)ACD/KOC (pH 7.4): 8.77; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 40.09 cm³; (15)Molar Volume: 111.1 cm³; (16)Polarizability: 15.89×10^-24cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Enthalpy of Vaporization: 51.79 kJ/mol; (19)Vapour Pressure: 0.00408 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cccc(NC)c1;
(2)InChI: InChI=1/C7H10N2/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3;
(3)InChIKey: DYNWNNKAUGBOOZ-UHFFFAOYAX;
(4)Std. InChI: InChI=1S/C7H10N2/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3;
(5)Std. InChIKey: DYNWNNKAUGBOOZ-UHFFFAOYSA-N